SCHEMBL719711

SCHEMBL719711

CCn1nc(-c2ccc(C(F)(F)F)cc2)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.40
PTGS2 P35354 2/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TLR8 Q9NR97 1/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
NCOR2 Q9Y618 2/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL716806 0.83 GCGR (0.43) MAPTADORA3F2RL3
SCHEMBL4415884 0.77 RAD51 (0.41) RAD51PTGS2CTSSCTSKTLR8
SCHEMBL4678362 0.77 HDAC6 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5016834 0.76 CTSS (0.39) RAD51PTGS2CTSSCTSKTLR8
SCHEMBL31532384 0.74 LMNA (0.40) RAD51PTGS2HDAC1HDAC3HDAC4
SCHEMBL718675 0.73 SMN1; SMN2 (0.57) HDAC6NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4682811 0.69 TLR8 (0.41) RAD51PTGS2CTSSCTSKTLR8
SCHEMBL4679427 0.69 TLR8 (0.41) RAD51PTGS2CTSSCTSKTLR8
SCHEMBL14405161 0.67 CYP2E1 (0.50) RAD51CTSSCTSKTLR8NPC1
SCHEMBL14405047 0.67 ACSS2 (0.43) PTGS2CTSSCTSKTLR8KIF11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RAD51 3878/4885PTGS2 798/4885CTSS 4471/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RAD51 3878/4885PTGS2 798/4885CTSS 4471/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.